4-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1S)-2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O2S/c1-15(27-18-8-6-16(14-23)7-9-18)22(26)25-12-10-17(11-13-25)21-24-19-4-2-3-5-20(19)28-21/h2-9,15,17H,10-13H2,1H3/t15-/m0/s1